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CHEBI:74148 - 2-hydroxybehenoyl-CoA

ChEBI IDCHEBI:74148
ChEBI Name2-hydroxybehenoyl-CoA
Stars
DefinitionA hydroxy fatty-acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxybehenic acid.
Last Modified31 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC43H78N7O18P3S
Net Charge0
Average Mass1106.117
Monoisotopic Mass1105.43369
SMILESCCCCCCCCCCCCCCCCCCCCC(O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=1S/C43H78N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-31(51)42(56)72-26-25-45-33(52)23-24-46-40(55)37(54)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-36(67-69(57,58)59)35(53)41(66-32)50-30-49-34-38(44)47-29-48-39(34)50/h29-32,35-37,41,51,53-54H,4-28H2,1-3H3,(H,45,52)(H,46,55)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/t31?,32-,35-,36-,37+,41-/m1/s1
InChIKeyTXHBQUJRFDOFJT-FBLBILBLSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
2-hydroxybehenoyl-CoA (CHEBI:74148) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
2-hydroxybehenoyl-CoA (CHEBI:74148) is a hydroxy fatty acyl-CoA (CHEBI:61902)
2-hydroxybehenoyl-CoA (CHEBI:74148) is a long-chain fatty acyl-CoA (CHEBI:33184)
2-hydroxybehenoyl-CoA (CHEBI:74148) is conjugate acid of 2-hydroxybehenoyl-CoA(4−) (CHEBI:74117)
Incoming Relation(s)
2-hydroxybehenoyl-CoA(4−) (CHEBI:74117) is conjugate base of 2-hydroxybehenoyl-CoA (CHEBI:74148)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxydocosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
2-hydroxydocosanoyl-coenzyme AChEBI
2-hydroxybehenoyl-coenzyme AChEBI
2-hydroxydocosanoyl-CoAChEBI